相关论文: Multimodal machine learning for materials science:…

Two-dimensional materials have attracted considerable attention due to their remarkable electronic, mechanical and optical properties, making them prime candidates for next-generation electronic and optoelectronic applications. Despite…

Fueled by the widespread adoption of Machine Learning (ML) and the high-throughput screening of materials, the data-centric approach to materials design has asserted itself as a robust and powerful tool for the in-silico prediction of…

It is important to accurately model materials' properties at lower length scales (micro-level) while translating the effects to the components and/or system level (macro-level) can significantly reduce the amount of experimentation required…

Multimodal learning has shown great potentials in numerous scenes and attracts increasing interest recently. However, it often encounters the problem of missing modality data and thus suffers severe performance degradation in practice. To…

A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications,…

Machine learning models are increasingly used in many engineering fields thanks to the widespread digital data, growing computing power, and advanced algorithms. Artificial neural networks (ANN) is the most popular machine learning model in…

In recent years, artificial intelligence has played an important role on accelerating the whole process of drug discovery. Various of molecular representation schemes of different modals (e.g. textual sequence or graph) are developed. By…

Discovery of the molecular candidates for applications in drug targets, biomolecular systems, catalysts, photovoltaics, organic electronics, and batteries, necessitates development of machine learning algorithms capable of rapid exploration…

Heterogeneous data fusion can enhance the robustness and accuracy of an algorithm on a given task. However, due to the difference in various modalities, aligning the sensors and embedding their information into discriminative and compact…

Mesh generation plays a crucial role in scientific computing. Traditional mesh generation methods, such as TFI and PDE-based methods, often struggle to achieve a balance between efficiency and mesh quality. To address this challenge,…

Data science and artificial intelligence are playing an increasingly important role in the physical sciences. Unfortunately, in the field of energetic materials data scarcity limits the accuracy and even applicability of ML tools. To…

Machine-learning interatomic potentials (MLIPs) have enabled molecular dynamics at near ab initio accuracy, yet remain limited to energies and forces by construction, leaving electronic observables such as dipole moments and…

In this paper, we propose a novel transfer learning approach called multi-modal cascade model with feature transfer for polymer property prediction.Polymers are characterized by a composite of data in several different formats, including…

Polymer nanocomposites (PNCs) offer a broad range of thermophysical properties that are linked to their compositions. However, it is challenging to establish a universal composition-property relation of PNCs due to their enormous…

The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open-source data and tools to propel the field. Despite the…

Learning modality-fused representations and processing unaligned multimodal sequences are meaningful and challenging in multimodal emotion recognition. Existing approaches use directional pairwise attention or a message hub to fuse…

Metal additive manufacturing enables unprecedented design freedom and the production of customized, complex components. However, the rapid melting and solidification dynamics inherent to metal AM processes generate heterogeneous,…

Multimodal learning, a rapidly evolving field in artificial intelligence, seeks to construct more versatile and robust systems by integrating and analyzing diverse types of data, including text, images, audio, and video. Inspired by the…

Multimodal learning is defined as learning over multiple heterogeneous input modalities such as video, audio, and text. In this work, we are concerned with understanding how models behave as the type of modalities differ between training…

The electronic structure of a material fundamentally determines its underlying physical, and by extension, its functional properties. Consequently, the ability to identify or generate materials with desired electronic properties would…